SCHEMBL469685

SCHEMBL469685

c1ccc2c(Cc3c[nH]nn3)n[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
GAA P10253 2/20 0.41
PDPK1 O15530 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ALPL P05186 1/20 0.39
IDO1 P14902 1/20 0.39
HPGD P15428 1/20 0.39
TTK P33981 1/20 0.39
MAPK10 P53779 1/20 0.39
LMNA P02545 1/20 0.37
AR P10275 6/20 0.36
PARP1 P09874 1/20 0.36
CYP1A2 P05177 1/20 0.36
YTHDC1 Q96MU7 1/20 0.36
STAT3 P40763 1/20 0.36
HIF1A Q16665 1/20 0.36
CNR1 P21554 3/20 0.35
CNR2 P34972 3/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5727267 0.74 TSHR (0.68) KDM4EGAAPDPK1CYP3A4TSHR
SCHEMBL1851278 0.73 GPR84 (0.62) KDM4ECYP3A4TSHRALDH1A1CYP1A2
SCHEMBL248215 0.73 PARP1 (0.64) KDM4EGAAPDPK1CYP3A4ALDH1A1
SCHEMBL30801304 0.73 PARP1 (0.64) KDM4EGAAPDPK1CYP3A4ALDH1A1
SCHEMBL469690 0.69 LRRK2 (0.56) KDM4EGAAPDPK1CYP3A4ALDH1A1
SCHEMBL2227955 0.69 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4ALDH1A1
SCHEMBL3061437 0.69 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4ALDH1A1
SCHEMBL730574 0.69 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4ALDH1A1
SCHEMBL254885 0.69 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4ALDH1A1
SCHEMBL960630 0.69 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815863-B2 Hydrogen bond forming fluoro ketolides for treating diseases CEMPRA PHARMACEUTICALS, INC. (US) 2017-11-14 US disclosed
US-9815863-B2 Hydrogen bond forming fluoro ketolides for treating diseases CEMPRA PHARMACEUTICALS, INC. (US) 2017-11-14 US disclosed
US-20130172280-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES CEMPRA PHARMACEUTICALS, INC. (US) 2013-07-04 US disclosed
US-20130172280-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES CEMPRA PHARMACEUTICALS, INC. (US) 2013-07-04 US disclosed
WO-2012034058-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES CEMPRA PHARMACEUTICALS, INC. (US) 2012-03-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130172280-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES Q6ZSR9, LSS, LCT KDM4E 1222/4885GAA 162/4885PDPK1 4430/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.